From ae1f7175bea210eff43d52a30a454f4f9acce30b Mon Sep 17 00:00:00 2001
From: Markus Scheidgen <markus.scheidgen@gmail.com>
Date: Tue, 13 Aug 2019 13:07:47 +0200
Subject: [PATCH] Replaced system.exit with exceptions.
---
phonopyparser/PhononModulesNomad.py | 10 ++++------
1 file changed, 4 insertions(+), 6 deletions(-)
diff --git a/phonopyparser/PhononModulesNomad.py b/phonopyparser/PhononModulesNomad.py
index f567e37..1232adb 100644
--- a/phonopyparser/PhononModulesNomad.py
+++ b/phonopyparser/PhononModulesNomad.py
@@ -139,13 +139,12 @@ def Collect_Forces_aims(cell_obj, supercell_matrix, displacement, sym, tol = 1e-
if fnmatch(name, '*.out') == True:
aims_out = '%s/%s' % (directory, name)
logging.warn(
- "!!! WARNING your file seems to have a wrong name proceeding with %s" % aims_out
+ "Your file seems to have a wrong name proceeding with %s" % aims_out
)
check_var = True
break
if check_var == False:
- logging.warn("!!! No phonon calculations found")
- sys.exit(1)
+ raise Exception("No phonon calculations found")
os.chdir("../")
Relative_Path.append(aims_out)
supercell_calculated = read_aims_output(aims_out)
@@ -171,9 +170,8 @@ def Collect_Forces_aims(cell_obj, supercell_matrix, displacement, sym, tol = 1e-
force -= drift_force / forces.shape[0]
set_of_forces.append(forces)
else:
- logging.warn(
- "!!! calculated varies from expected supercell in FHI-aims output %s" % aims_out)
- sys.exit(2)
+ raise Exception("calculated varies from expected supercell in FHI-aims output %s" % aims_out)
+
return set_of_forces, phonopy_obj, Relative_Path
--
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